Information card for entry 7229454

Structure parameters

• Formula: C25 H22 N2 O
• Calculated formula: C25 H22 N2 O
• SMILES: N1([C@]2(C(=C[C@@H]1c1ccccc1)c1c(N(C2)C)cccc1)C=O)c1ccccc1.N1([C@@]2(C(=C[C@H]1c1ccccc1)c1c(N(C2)C)cccc1)C=O)c1ccccc1
• Title of publication: Construction of 2,3-Quaternary Fused Indolines from Alkynyl tethered Oximes and Diaryliodonium Salts through A Cascade Strategy of N-Arylation/Cycloaddition/[3,3]-Rearrangement
• Authors of publication: Ma, Xiao-Pan; Li, Kun; Wu, Si-Yi; Liang, Cui; SU, Guifa; Mo, Dong-Liang
• Journal of publication: Green Chem.
• Year of publication: 2017
• a: 9.272 ± 0.003 Å
• b: 9.723 ± 0.003 Å
• c: 21.851 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1969.9 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No